8004-3329 Screening compound: 2-(4-hydroxyphenyl)-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione

8004-3329 Screening compound: 2-(4-hydroxyphenyl)-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
8004-3329 Screening compound: 2-(4-hydroxyphenyl)-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-3329
2-(4-hydroxyphenyl)-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8004-3329

Molecular Formula

C18H9N3O7 (C18 H9 N3 O7)

Compound Name

2-(4-hydroxyphenyl)-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione

IUPAC name

3-(4-hydroxyphenyl)-810-dinitro-3-azatricyclo[7.3.1.0^{513}]trideca-1(12)579(13)10-pentaene-24-dione

SMILES

[O-][N+](c(cc1)c(c([N+]([O-])=O)ccc2C(N3c(cc4)ccc4O)=O)c2c1C3=O)=O

InChI

InChI=1S/C18H9N3O7/c22-10-3-1-9(2-4-10)19-17(23)11-5-7-13(20(25)26)16-14(21(27)28)8-6-12(15(11)16)18(19)24/h1-8,22H

InChI Key

PJGIJGCNJYIPSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00349154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.29

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.281

Distribution Coefficient, logD

2.280

Water Solubility, LogSw

-2.71

Polar Surface Area

112.021

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

-4.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8004-3329 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8004-3329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-3329?
Check Price and Availability of 8004-3329, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8004-3329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-3329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-3329
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8004-3329 available by request